[1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate

C18H14ClFN2O2 — CID 174610740

IUPAC[1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate
SMILESO=COC(Cc1cc(-c2ccccc2F)n[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN2O2/c19-13-5-3-4-12(8-13)18(24-11-23)10-14-9-17(22-21-14)15-6-1-2-7-16(15)20/h1-9,11,18H,10H2,(H,21,22)
InChIKeyCUHDGQFYJGWKQW-UHFFFAOYSA-N
MW344.77 g/mol
LogP4.33
Rot. Bonds6

About [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate

[1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate (PubChem CID 174610740) has the molecular formula C18H14ClFN2O2 and a molecular weight of 344.77 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate
PubChem CID174610740
Molecular FormulaC18H14ClFN2O2
Molecular Weight344.77 g/mol
Exact Mass344.07
IUPAC Name[1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate
SMILESO=COC(Cc1cc(-c2ccccc2F)n[nH]1)c1cccc(Cl)c1
InChIInChI=1S/C18H14ClFN2O2/c19-13-5-3-4-12(8-13)18(24-11-23)10-14-9-17(22-21-14)15-6-1-2-7-16(15)20/h1-9,11,18H,10H2,(H,21,22)
InChIKeyCUHDGQFYJGWKQW-UHFFFAOYSA-N
XLogP4.33
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.77
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

3-(3-chloro-4-fluorophenyl)-5-(1,3-dioxan-2-yl)-1H-pyrazole
CID 155931745
5-[2-(Benzyloxy)ethyl]-3-(4-fluorophenyl)-1H-pyrazole
CID 67439036
3-(3-chloro-4-fluorophenyl)-5-(diethoxymethyl)-1H-pyrazole
CID 81173958
5-(5-chloro-2-methoxyphenyl)-3-(3-fluorophenyl)-1H-pyrazole
CID 89930995
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxyethyl)-1H-pyrazole
CID 118069368
3-(3-chloro-4-fluorophenyl)-5-(1-ethoxypropyl)-1H-pyrazole
CID 144845678
2-[4-(3-chloro-2-fluorophenyl)-3-phenyl-1H-pyrazol-5-yl]ethanol
CID 151802495
[1-(4-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
CID 174578429
[1-(3-fluorophenyl)-2-(3-propan-2-yl-1H-pyrazol-5-yl)ethyl] formate
CID 174604071
[1-(3-chloro-4-fluorophenyl)-2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610660
[1-(3-chlorophenyl)-2-[3-[3-(trifluoromethoxy)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610662
[1-(3-chlorophenyl)-2-[3-[3-fluoro-5-(trifluoromethyl)phenyl]-1H-pyrazol-5-yl]ethyl] formate
CID 174610664

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate?
The IUPAC name of [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate (CID 174610740) is [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate.
What is the SMILES notation for [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate?
The canonical SMILES for [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate is O=COC(Cc1cc(-c2ccccc2F)n[nH]1)c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate?
The InChIKey is CUHDGQFYJGWKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN2O2/c19-13-5-3-4-12(8-13)18(24-11-23)10-14-9-17(22-21-14)15-6-1-2-7-16(15)20/h1-9,11,18H,10H2,(H,21,22).
What are the key properties of [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate?
[1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate has a molecular weight of 344.77 g/mol, XLogP of 4.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-2-[3-(2-fluorophenyl)-1H-pyrazol-5-yl]ethyl] formate is sourced from PubChem (CID 174610740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).